Created in 1989, CTIS investigates the relationships between the physicochemical
properties of the molecules and their biological activities or properties. This includes
the design of Quantitative Structure-Activity Relationship (QSAR)
models for simulating (eco)toxicological and pharmacological endpoints,
as well as the development of Quantitative Structure-Property Relationship
(QSPR) models for estimating properties (e.g., 1-octanol/water partition
coefficient) and the design of environmental fate models.

A large part of the activity at CTIS is also dedicated to data
analysis especially the use of linear and nonlinear techniques for extracting information
from complex (eco)toxicological data matrices.